3-CETC
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 563637

CAS#: 117620-77-6

Description: 3-CETC is a fluorescent CYP1A1 &1A2 substrate.

Chemical Structure

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3-CETC
CAS# 117620-77-6
Instruction

Theoretical Analysis

MedKoo Cat#: 563637
Name: 3-CETC
CAS#: 117620-77-6
Chemical Formula: C12H9NO3
Exact Mass: 215.06
Molecular Weight: 215.200
Elemental Analysis: C, 66.97; H, 4.22; N, 6.51; O, 22.30

Price and Availability

Size Price Availability Quantity
5mg USD 220 2 Weeks
10mg USD 360 2 Weeks
25mg USD 610 2 Weeks
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Synonym: 3-CETC; 3 CETC; 3CETC;

IUPAC/Chemical Name: 3-Cyano-7-ethoxycoumarin

InChi Key: YAFGHMIAFYQSCF-UHFFFAOYSA-N

InChi Code: InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3

SMILES Code: O=C1OC2=C(C=CC(OCC)=C2)C=C1C#N

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 215.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: González-Mira A, Varó I, Solé M, Torreblanca A. Drugs of environmental concern modify Solea senegalensis physiology and biochemistry in a temperature-dependent manner. Environ Sci Pollut Res Int. 2016 Oct;23(20):20937-20951. Epub 2016 Aug 3. PubMed PMID: 27488709.

2: Pan Y, Tiong KH, Abd-Rashid BA, Ismail Z, Ismail R, Mak JW, Ong CE. In vitro effect of important herbal active constituents on human cytochrome P450 1A2 (CYP1A2) activity. Phytomedicine. 2014 Oct 15;21(12):1645-50. doi: 10.1016/j.phymed.2014.08.003. Epub 2014 Sep 16. PubMed PMID: 25442272.

3: Thelingwani RS, Dhansay K, Smith P, Chibale K, Masimirembwa CM. Potent inhibition of CYP1A2 by Frutinone A, an active ingredient of the broad spectrum antimicrobial herbal extract from P. fruticosa. Xenobiotica. 2012 Oct;42(10):989-1000. doi: 10.3109/00498254.2012.681077. Epub 2012 Apr 25. PubMed PMID: 22533317.

4: Koenig S, Fernández P, Solé M. Differences in cytochrome P450 enzyme activities between fish and crustacea: relationship with the bioaccumulation patterns of polychlorobiphenyls (PCBs). Aquat Toxicol. 2012 Feb;108:11-7. doi: 10.1016/j.aquatox.2011.10.016. Epub 2011 Oct 28. PubMed PMID: 22093813.

5: Fuchshuber-Moraes M, Carvalho RS, Rimmbach C, Rosskopf D, Carvalho MA, Suarez-Kurtz G. Aminoglycoside-induced suppression of CYP2C19*3 premature stop codon. Pharmacogenet Genomics. 2011 Nov;21(11):694-700. doi: 10.1097/FPC.0b013e328349daba. PubMed PMID: 21934639.

6: Wang H, Kim RA, Sun D, Gao Y, Wang H, Zhu J, Chen C. Evaluation of the effects of 18 non-synonymous single-nucleotide polymorphisms of CYP450 2C19 on in vitro drug inhibition potential by a fluorescence-based high-throughput assay. Xenobiotica. 2011 Sep;41(9):826-35. doi: 10.3109/00498254.2011.582893. Epub 2011 Jun 22. PubMed PMID: 21692664.

7: Iba MM, Shin M, Caccavale RJ. Cytochromes P4501 (CYP1): catalytic activities and inducibility by diesel exhaust particle extract and benzo[a]pyrene in intact human lung ex vivo. Toxicology. 2010 Jun 29;273(1-3):35-44. doi: 10.1016/j.tox.2010.04.012. Epub 2010 May 8. PubMed PMID: 20435083.

8: Smith EM, Wilson JY. Assessment of cytochrome P450 fluorometric substrates with rainbow trout and killifish exposed to dexamethasone, pregnenolone-16alpha-carbonitrile, rifampicin, and beta-naphthoflavone. Aquat Toxicol. 2010 May 10;97(4):324-33. doi: 10.1016/j.aquatox.2010.01.005. Epub 2010 Jan 25. PubMed PMID: 20167382.

9: Makaji E, Trambitas CS, Shen P, Holloway AC, Crankshaw DJ. Effects of cytochrome P450 inhibitors on the biotransformation of fluorogenic substrates by adult male rat liver microsomes and cDNA-expressed rat cytochrome P450 isoforms. Toxicol Sci. 2010 Feb;113(2):293-304. doi: 10.1093/toxsci/kfp255. Epub 2009 Oct 25. PubMed PMID: 19858067.

10: Turowski SG, Jank KE, Fung HL. Inactivation of hepatic enzymes by inhalant nitrite--in vivo and in vitro studies. AAPS J. 2007 Jul 27;9(3):E298-305. PubMed PMID: 17915831; PubMed Central PMCID: PMC2751477.

11: Topic Popovic N, Babish JG, Bowser PR. Observational study of hepatic cytochrome P-450 protein expression and activity in summer flounder (Paralichtys dentatus) after combination ormetoprim-sulfadimethoxine treatment. Chemotherapy. 2007;53(5):313-5. Epub 2007 Aug 29. PubMed PMID: 17728539.

12: Wang JF, Wei DQ, Li L, Zheng SY, Li YX, Chou KC. 3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design. Biochem Biophys Res Commun. 2007 Apr 6;355(2):513-9. Epub 2007 Feb 8. Erratum in: Biochem Biophys Res Commun. 2007 May 25;357(1):330. Biochem Biophys Res Commun. 2009 Jul 3;384(3):399. PubMed PMID: 17307149.

13: Lowe DM, Moore MN, Readman JW. Pathological reactions and recovery of hepatopancreatic digestive cells from the marine snail Littorina littorea following exposure to a polycyclic aromatic hydrocarbon. Mar Environ Res. 2006 Jun;61(5):457-70. Epub 2006 Mar 6. PubMed PMID: 16516957.

14: Dietrich M, Grundmann L, Kurr K, Valinotto L, Saussele T, Schmid RD, Lange S. Recombinant production of human microsomal cytochrome P450 2D6 in the methylotrophic yeast Pichia pastoris. Chembiochem. 2005 Nov;6(11):2014-22. PubMed PMID: 16222729.

15: Donato MT, Jiménez N, Castell JV, Gómez-Lechón MJ. Fluorescence-based assays for screening nine cytochrome P450 (P450) activities in intact cells expressing individual human P450 enzymes. Drug Metab Dispos. 2004 Jul;32(7):699-706. PubMed PMID: 15205384.

16: Ghosal A, Hapangama N, Yuan Y, Lu X, Horne D, Patrick JE, Zbaida S. Rapid determination of enzyme activities of recombinant human cytochromes P450, human liver microsomes and hepatocytes. Biopharm Drug Dispos. 2003 Dec;24(9):375-84. PubMed PMID: 14689466.

17: Stresser DM, Turner SD, Blanchard AP, Miller VP, Crespi CL. Cytochrome P450 fluorometric substrates: identification of isoform-selective probes for rat CYP2D2 and human CYP3A4. Drug Metab Dispos. 2002 Jul;30(7):845-52. PubMed PMID: 12065444.

18: Ekins S, Vandenbranden M, Ring BJ, Gillespie JS, Yang TJ, Gelboin HV, Wrighton SA. Further characterization of the expression in liver and catalytic activity of CYP2B6. J Pharmacol Exp Ther. 1998 Sep;286(3):1253-9. PubMed PMID: 9732386.

19: Martin J, Dinsdale D, White IN. Characterization of Clara and type II cells isolated from rat lung by fluorescence-activated flow cytometry. Biochem J. 1993 Oct 1;295 ( Pt 1):73-80. PubMed PMID: 7692844; PubMed Central PMCID: PMC1134822.

20: Nikula KJ, Sabourin PJ, Frietag BC, Birdwhistell AJ, Hotchkiss JA, Harkema JR. Biochemical and morphologic responses of rat nasal epithelia to hyperoxia. Fundam Appl Toxicol. 1991 Nov;17(4):675-83. PubMed PMID: 1778357.